HRID1219430

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID3776

Isopropanol

C3H8O

HCID57974172

未命名化合物

HCID57974205

未命名化合物

PRODUCTS

生成物

结构：Cc1cnc(Nc2cccc(N3CCN(C)CC3=O)c2)nc1Nc1ccccc1C(=O)NC(C)C

HCID24864097

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-17f598dd4f9441c4aefbbe6652598d13
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[CH:38]([OH:39])([CH3:40])[CH3:41].[Cl:1][c:2]1[n:3][cH:4][c:5]([CH3:21])[c:6]([NH:8][c:9]2[c:10]([C:11](=[O:12])[NH:13][CH:14]([CH3:15])[CH3:16])[cH:17][cH:18][cH:19][cH:20]2)[n:7]1.[ClH:37].[NH2:22][c:23]1[cH:24][c:25]([N:29]2[C:30](=[O:36])[CH2:31][N:32]([CH3:35])[CH2:33][CH2:34]2)[cH:26][cH:27][cH:28]1>>[c:2]1([NH:22][c:23]2[cH:24][c:25]([N:29]3[C:30](=[O:36])[CH2:31][N:32]([CH3:35])[CH2:33][CH2:34]3)[cH:26][cH:27][cH:28]2)[n:3][cH:4][c:5]([CH3:21])[c:6]([NH:8][c:9]2[c:10]([C:11](=[O:12])[NH:13][CH:14]([CH3:15])[CH3:16])[cH:17][cH:18][cH:19][cH:20]2)[n:7]1